[email protected]
CAS 960308-92-3 N,N,4-trimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide molecular structure lightbox
CAS RN: 960308-92-3

N,N,4-trimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS960308-92-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

960308-92-3 / N,N,4-trimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Standard CAS: 960308-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
960308-92-3
Multi CAS
No
Molecular Formula
BC16H24NO3
Molecular Weight
289.200000
Exact Mass
289.184924
InChI
InChI=1S/C16H24BNO3/c1-11-8-9-12(14(19)18(6)7)10-13(11)17-20-15(2,3)16(4,5)21-17/h8-10H,1-7H3
InChIKey
ALUOOYHIYVVBBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
84.91
TPSA
38.77

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us